2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine

C14H22N2O — CID 61429869

IUPAC2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine
SMILESCC1(C)COCCN1C(CN)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-14(2)11-17-9-8-16(14)13(10-15)12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3
InChIKeyZWAFFAZUDGZRCF-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.80
Rot. Bonds3

About 2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine

2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine (PubChem CID 61429869) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine
PubChem CID61429869
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine
SMILESCC1(C)COCCN1C(CN)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-14(2)11-17-9-8-16(14)13(10-15)12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3
InChIKeyZWAFFAZUDGZRCF-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine (CID 61429869) is 2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine is CC1(C)COCCN1C(CN)c1ccccc1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine?
The InChIKey is ZWAFFAZUDGZRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)11-17-9-8-16(14)13(10-15)12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine?
2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine is sourced from PubChem (CID 61429869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).